2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one

C15H19N3O — CID 136741055

IUPAC2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc(C)c(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C15H19N3O/c1-9-5-6-13(7-10(9)2)8-16-15-17-12(4)11(3)14(19)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyLNUKKSPYZJOKDP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.62
Rot. Bonds3

About 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one

2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136741055) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136741055
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1ccc(CNc2nc(C)c(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C15H19N3O/c1-9-5-6-13(7-10(9)2)8-16-15-17-12(4)11(3)14(19)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18,19)
InChIKeyLNUKKSPYZJOKDP-UHFFFAOYSA-N
XLogP2.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one (CID 136741055) is 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1ccc(CNc2nc(C)c(C)c(=O)[nH]2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is LNUKKSPYZJOKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-6-13(7-10(9)2)8-16-15-17-12(4)11(3)14(19)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 257.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methylamino]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136741055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).